CID 73782

Chlorocyclooctane

Structural Information

Molecular Formula
C8H15Cl
SMILES
C1CCCC(CCC1)Cl
InChI
InChI=1S/C8H15Cl/c9-8-6-4-2-1-3-5-7-8/h8H,1-7H2
InChIKey
LDOZEEFSUYHNPM-UHFFFAOYSA-N
Compound name
chlorocyclooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

146.08623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09351 143.0
[M+Na]+ 169.07545 147.2
[M-H]- 145.07895 144.5
[M+NH4]+ 164.12005 152.9
[M+K]+ 185.04939 147.1
[M+H-H2O]+ 129.08349 140.1
[M+HCOO]- 191.08443 150.1
[M+CH3COO]- 205.10008 218.0
[M+Na-2H]- 167.06090 143.6
[M]+ 146.08568 141.2
[M]- 146.08678 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe